Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Acetylated Dihydrocoumaric Acid

Acetylated Dihydrocoumaric Acid synonyms

acetylated dihydrocoumaric acid; 3-(4-acetoxyphenyl)propionic acid


Graphical representations:

acetylated dihydrocoumaric acid image

Molecular Formula: C11 H12 O4

Natural Isotopic Abundance Mass: 208.21058

Mono-Isotopic Molecular Masses:

  • C12N14: 208.0735588736
  • C13N14: 219.1104620894
  • C12N15: 208.0735588736
  • C13N15: 219.1104620894

InCHi String: InChI=1/C11H12O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-3,5-6H,4,7H2,1H3,(H,13,14)/f/h13H

Canonical and Isomeric SMILES: SMILES_STRING

acetylated dihydrocoumaric acid

PubChem Substance (SID):   111677956
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 128
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.